5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol

C18H18N2O2 — CID 42642719

IUPAC5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol
SMILESCCC(c1ccc(-c2cc(O)cc(O)c2)cc1)n1ccnc1
InChIInChI=1S/C18H18N2O2/c1-2-18(20-8-7-19-12-20)14-5-3-13(4-6-14)15-9-16(21)11-17(22)10-15/h3-12,18,21-22H,2H2,1H3
InChIKeyVBHJJDVRMJRXQC-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.96
Rot. Bonds4

About 5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol

5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol (PubChem CID 42642719) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol
PubChem CID42642719
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol
SMILESCCC(c1ccc(-c2cc(O)cc(O)c2)cc1)n1ccnc1
InChIInChI=1S/C18H18N2O2/c1-2-18(20-8-7-19-12-20)14-5-3-13(4-6-14)15-9-16(21)11-17(22)10-15/h3-12,18,21-22H,2H2,1H3
InChIKeyVBHJJDVRMJRXQC-UHFFFAOYSA-N
XLogP3.96
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol?
The IUPAC name of 5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol (CID 42642719) is 5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol?
The canonical SMILES for 5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol is CCC(c1ccc(-c2cc(O)cc(O)c2)cc1)n1ccnc1.
What is the InChIKey of 5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol?
The InChIKey is VBHJJDVRMJRXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-18(20-8-7-19-12-20)14-5-3-13(4-6-14)15-9-16(21)11-17(22)10-15/h3-12,18,21-22H,2H2,1H3.
What are the key properties of 5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol?
5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol has a molecular weight of 294.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-imidazol-1-ylpropyl)phenyl]benzene-1,3-diol is sourced from PubChem (CID 42642719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).